1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione

C16H24N2O3 — CID 13306

IUPAC1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(C2CCCCC2)C(=O)C1C1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-14-13(11-7-3-1-4-8-11)15(20)18(16(21)17-14)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,17,19,21)
InChIKeyBEZDXMRCBXXCJG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.59
Rot. Bonds2

About 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione

1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione (PubChem CID 13306) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione
PubChem CID13306
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(C2CCCCC2)C(=O)C1C1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-14-13(11-7-3-1-4-8-11)15(20)18(16(21)17-14)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,17,19,21)
InChIKeyBEZDXMRCBXXCJG-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Bucolome
CID 2461
Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-cyclohexylmethyl-amide
CID 648462
5-(Butan-2-yl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
CID 12939
Barbituric acid, 1-cyclohexyl-5-(1-methylbutyl)-
CID 13300
1-Cyclohexyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 20162
3-Cyclohexyl-6-hydroxy-5-octylpyrimidine-2,4(3H,5H)-dione
CID 20255
Barbituric acid, 1,3,5-tricyclohexyl-
CID 120787
Barbituric acid, 1,3-dicyclohexyl-5-(1-methylbutyl)-
CID 12944
Barbituric acid, 5-sec-butyl-1-cyclohexyl-
CID 13294
Barbituric acid, 1-cyclohexyl-5-pentyl-
CID 13301
Barbituric acid, 1,3-dicyclohexyl-5-pentyl-
CID 13332
N~1~-Cyclohexyl-4-{2-[(cyclohexylcarbonyl)amino]ethyl}tetrahydro-1(2H)-pyridinecarboxamide
CID 46381861

Frequently Asked Questions

What is the IUPAC name of 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione (CID 13306) is 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(C2CCCCC2)C(=O)C1C1CCCCC1.
What is the InChIKey of 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione?
The InChIKey is BEZDXMRCBXXCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-14-13(11-7-3-1-4-8-11)15(20)18(16(21)17-14)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,17,19,21).
What are the key properties of 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione?
1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione has a molecular weight of 292.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).